Publications

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[ Author(Desc)] Title Type Year
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D
Dorofeyev VE, Mazur AK.  1993.  Investigation of conformational equilibrium of polypeptides by internal coordinate stochastic dynamics: Met-enkephalin. J. Biomol. Struct. Dyn.. 10:143–167.
Dorofeyev VE, Mazur AK.  1993.  Optimization of numerical algorithms for internal coordinate molecular dynamics. J. Comput. Phys.. 107:359–366.
Doutreligne S., Cragnolini T., Pasquali S., Derreumaux P, Baaden M.  2014.  UnityMol: Interactive scientific visualization for integrative biology. Large Data Analysis and Visualization (LDAV), 2014 IEEE 4th Symposium on. :109–110.
Doutreligne S., Gageat C., Cragnolini T., Taly A, Pasquali S., Derreumaux P, Baaden M.  2015.  UnityMol: interactive and ludic visual manipulation of coarse-grained RNA and other biomolecules. Virtual and Augmented Reality for Molecular Science (VARMS@IEEEVR), 2015 IEEE 1st International Workshop on. :1–6.
Doyle ML, Di Cera E, Robert CH, Gill SJ.  1987.  Carbon dioxide and oxygen linkage in human hemoglobin tetramers. J. Mol. Biol.. 196:927–934.
Dragelj J, Karafoulidi-Retsou C, Katz S, Lenz O, Zebger I, Caserta G, Sacquin-Mora S, Mroginski MAndrea.  2023.  Conformational and mechanical stability of the isolated large subunit of membrane-bound [NiFe]-hydrogenase from Cupriavidus necator. Frontiers in Microbiology. 13
Dreher M., Piuzzi M., Turki A., Chavent M, Baaden M, Férey N, Limet S., Raffin B., Robert S..  2013.  Interactive Molecular Dynamics: Scaling up to Large Systems.. Procedia Comput. Sci.. 18:20–29.
Dreher M, Prevoteau-Jonquet J, Trellet M, Piuzzi M, Baaden M, Raffin B, Férey N, Robert S, Limet S..  2014.  ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations. Faraday Discuss.. 169:119–142.
Drevelle A, Urvoas A, Ben Hamida-Rebai M, Van Vooren G, Nicaise M, Valerio-Lepiniec M, Desmadril M, Robert CH, Minard P.  2009.  Disulfide bond substitution by directed evolution in an engineered binding-protein scaffold.. Chembiochem. 10:1349–1359.
Duboué-Dijon E, Hénin J.  2021.  Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry. The Journal of Chemical Physics. 154:204101.
Duboué-Dijon E, Javanainen M, Delcroix P, Jungwirth P, Martinez-Seara H.  2020.  A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization.. J Chem Phys. 153(5):050901.
Durrieu M.P, Bond P.J, Sansom M.S, Lavery R., Baaden M.  2009.  Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states. Chemphyschem. 10:1548–1552.
Durrieu M-P, Lavery R, Baaden M.  2008.  Interactions between neuronal fusion proteins explored by molecular dynamics. Biophys. J.. 94:3436–3446.
E
Ebrahimi M, Hénin J.  2022.  Symmetry-Adapted Restraints for Binding Free Energy Calculations.. J Chem Theory Comput.
Elbahnsi A, Retureau R, Baaden M, Hartmann B, Oguey C.  2018.  Holding the Nucleosome Together: A Quantitative Description of the DNA-Histone Interface in Solution.. J Chem Theory Comput. 14(2):1045-1058.
Elyakova L.A, Mazur AK.  1982.  Mathematical modelling of endoglucanase-catalysed hydrolysis of a linear polysaccharide. Mol. Biol.. 16:499–510.
Engelen S, Trojan LA, Sacquin-Mora S, Lavery R, Carbone A.  2009.  Joint Evolutionary Trees: A Large-Scale Method To Predict Protein Interfaces Based on Sequence Sampling. Plos Comput. Biol.. 5:e1000267.
Esmenjaud J-B, Stroebel D, Chan K, Grand T, David M, Wollmuth LP, Taly A, Paoletti P.  2019.  An inter-dimer allosteric switch controls NMDA receptor activity. The EMBO journal. 38
Esque J, Sansom MSP, Baaden M, Oguey C.  2018.  Analyzing protein topology based on Laguerre tessellation of a pore-traversing water network.. Sci Rep. 8(1):13540.
F
Faraldo-Gomez JD, Forrest LR, Baaden M, Bond PJ, Domene C, Patargias G, Cuthbertson J, Sansom MSP.  2004.  Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations. Proteins: Struct., Funct., Bioinf.. 57:783–791.
B Fas A, Sacquin-Mora S, Papaleo E.  2023.  Editorial: In Celebration of Women in Science: Biological Modeling and Simulation. Front Mol Biosci. 10:1175325.
Férey N, Gherbi R..  2006.  Visual Mining for Microarray Knowledge Discovery. International Conference on Information & Communication Technologies: from Theory to Applications (ICTTA 2006 - IEEE).
Férey N, Gros P.-E., Gherbi R..  2006.  An Immersive Visualization and Interaction Paradigm for Genomic Databases Exploration. Mediterranean Journal of Computers and Networks. 2:118–124.
Férey N, Gros P.-E., Hérisson J., Gherbi R..  2004.  Visualization and Exploration of Factual and Textual Genomic Data. Journées Ouvertes de Biologie, Informatique et Mathématiques (JOBIM 2004).
Férey N, Delalande O., Grasseau G., Baaden M.  2008.  A VR Framework for Interacting with Molecular Simulations. Symposium on Virtual Reality Software and Technology (ACM-VRST 2008). :91–94.

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